4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

C20H20N4 — CID 25218331

IUPAC4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nc(N)nc2c1-c1ccccc1C2
InChIInChI=1S/C20H20N4/c1-12(2)14-8-5-6-10-16(14)22-19-18-15-9-4-3-7-13(15)11-17(18)23-20(21)24-19/h3-10,12H,11H2,1-2H3,(H3,21,22,23,24)
InChIKeyDFMQLARCVPAGSC-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.50
Rot. Bonds3

About 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine

4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine (PubChem CID 25218331) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
PubChem CID25218331
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine
SMILESCC(C)c1ccccc1Nc1nc(N)nc2c1-c1ccccc1C2
InChIInChI=1S/C20H20N4/c1-12(2)14-8-5-6-10-16(14)22-19-18-15-9-4-3-7-13(15)11-17(18)23-20(21)24-19/h3-10,12H,11H2,1-2H3,(H3,21,22,23,24)
InChIKeyDFMQLARCVPAGSC-UHFFFAOYSA-N
XLogP4.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine (CID 25218331) is 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine is CC(C)c1ccccc1Nc1nc(N)nc2c1-c1ccccc1C2.
What is the InChIKey of 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
The InChIKey is DFMQLARCVPAGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-12(2)14-8-5-6-10-16(14)22-19-18-15-9-4-3-7-13(15)11-17(18)23-20(21)24-19/h3-10,12H,11H2,1-2H3,(H3,21,22,23,24).
What are the key properties of 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine?
4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-propan-2-ylphenyl)-9H-indeno[2,1-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 25218331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).